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Overview of CAS 54-20-6

Client Email Product
4CH-010550
PharmaCompass
4CH-010550
Also known as: 54-20-6, 5-trifluoromethyluracil, 5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione, Trifluoromethyluracil, 2,4(1h,3h)-pyrimidinedione, 5-(trifluoromethyl)-, 5-tfmu
Molecular Formula
C5H3F3N2O2
Molecular Weight
180.086  g/mol
InChI Key
LMNPKIOZMGYQIU-UHFFFAOYSA-N
FDA UNII
4U846R5P34

1 2D Structure

4CH-010550

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
2.1.2 InChI
InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
2.1.3 InChI Key
LMNPKIOZMGYQIU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C(=O)NC(=O)N1)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
4U846R5P34
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 54-20-6

2. 5-trifluoromethyluracil

3. 5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione

4. Trifluoromethyluracil

5. 2,4(1h,3h)-pyrimidinedione, 5-(trifluoromethyl)-

6. 5-tfmu

7. Uracil, 5-(trifluoromethyl)-

8. 5-(trifluoromethyl)pyrimidine-2,4-diol

9. Unii-4u846r5p34

10. 5-trifluoromethyl-1h-pyrimidine-2,4-dione

11. 5-trifluoromethyl Uracil

12. L 595725-0-1

13. Einecs 200-197-5

14. Nsc 73757

15. 5-(trifluoromethyl)-uracil

16. 5-(trifluoromethyl)-1h-pyrimidine-2,4-dione

17. Lmnpkiozmgyqiu-uhfffaoysa-n

18. Nsc73757

19. Mfcd00006024

20. 4u846r5p34

21. 1171916-79-2

22. 5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

23. 5-(trifluoromethyl)-1,3-dihydropyrimidine-2,4-dione

24. Trifluorothymine, 97%

25. Ac1l1ldl

26. 5-(trifluoromethyl) Uracil

27. Ac1q6ch4

28. Wln: T6mvmvj Exfff

29. Acmc-1cl47

30. Nciopen2_000624

31. Schembl42449

32. Chembl405942

33. Dtxsid40202304

34. Molport-001-777-242

35. Hms1664j14

36. Ks-00000jh0

37. Zinc1036885

38. Anw-31997

39. Ccg-50621

40. Ct-542

41. Nsc-73757

42. Sbb089612

43. 5-trifluoromethylpyrimidine-2,4-dione

44. Akos005063375

45. Ac-1199

46. Am83261

47. Fs-1051

48. Mcule-7668786377

49. Qc-8423

50. Rp24114

51. Aj-24725

52. Ak-28422

53. An-15156

54. Bc219551

55. Br-28422

56. Q086

57. St079301

58. Zb015674

59. Ab1008746

60. Ls-158706

61. 4ch-010550

62. Bg01505545

63. Ft-0619750

64. 2,3h)-pyrimidinedione, 5-(trifluoromethyl)-

65. 54t206

66. S-4787

67. 16447-ep2281563a1

68. 16447-ep2316459a1

69. 5-(trifluoromethyl)-2,4(1h,3h)-pyrimidinedione

70. 3s104890

71. 3s210879

72. 5-(trifluoromethyl)-2,4(1h,3h)-pyrimidinedione #

73. I03-0186

74. Sr-01000639984-1

75. W-105658

76. 1,2,3,4-tetrahydropyrazin-2,4-dione, 5-trifluoromethyl-

77. 2,4(1h,3h)-pyrimidinedione, 5-(trifluoromethyl)- (9ci)

78. Inchi=1/c5h3f3n2o2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1h,(h2,9,10,11,12

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 180.086 g/mol
Molecular Formula C5H3F3N2O2
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass180.015 g/mol
Monoisotopic Mass180.015 g/mol
Topological Polar Surface Area58.2 A^2
Heavy Atom Count12
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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